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2-Butoxyethanol Acetate
CAS: 112-07-2 | C8H16O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-07-2
Molecular Formula:
C8H16O3
Molecular Mass:
160.21 g/mol
Names and Synonyms:
2-Butoxyethanol Acetate
Ethanol, 2-butoxy-, 1-acetate
Ethanol, 2-butoxy-, acetate
Butyl cellosolve acetate
Ethylene glycol monobutyl ether acetate
Glycol monobutyl ether acetate
2-Butoxyethyl acetate
Butoxyethyl acetate
Butyl glycol acetate
Ethylene glycol butyl ether acetate
Dowanol EB acetate
BCA
EB Acetate
Ethylene glycol acetate monobutyl ether
B 0700
BMGAC
Ethylene glycol n-butyl ether acetate
Identifiers:
SMILES:
CCCCOCCOC(C)=O
InChI:
InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
Key Properties
Boiling Point
192.3 °C
CAS Common Chemistry
Melting Point
-64 °C
CAS Common Chemistry
Density
0.94 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.21 g/mol | CAS Common Chemistry |
| 160.213 g/mol | RDKit | |
| 160.109944372 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9422 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Butoxyethanol_acetate | CAS Common Chemistry |
| Boiling Point | 192.3 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCOCCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NQBXSWAWVZHKBZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -64 °C | CAS Common Chemistry |
| Name | Glycol monobutyl ether acetate | CAS Common Chemistry |
| 2-Butoxyethanol acetate | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.3662 | RDKit |
| Molar Refractivity | 42.360000000000014 | RDKit |
